On the Crystal Structure of Nd5Mo3O16+δ in the Pressure Range 0-5.9 GPa

molybdate with a cubic fluorite-like structure is obtained by solid state reactions from metal oxides. The formation of the final product occurs through the formation at 700 degrees C of a monoclinic Ln(2)MoO(6)-type structure (space group C2/c) probably containing vacancies in the neodymium and oxygen lattices. Neodymium molybdate obtained at 900 degrees C crystallizes in the space group Pn (3) over barn with the cell parameter a approximate to 11.039 angstrom. The crystal structure of neodymium molybdate obtained at 700 and 900 degrees C is studied by neutron diffraction and atomistic modeling using the GULP program in the pressure range 0-5.9 GPa, which demonstrates stability of the cubic structure at elevated pressures.